Ligand id: 3508

Name: darusentan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 100
Molecular weight 410.15
XLogP 5.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Riechers H, Albrecht HP, Amberg W, Baumann E, Bernard H, Böhm HJ, Klinge D, Kling A, Müller S, Raschack M et al.. (1996)
Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists.
J. Med. Chem., 39 (11): 2123-8. [PMID:8667356]